SCHEMBL7323612

SCHEMBL7323612

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(C)ccc(C)c2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
AURKA O14965 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MMP13 P45452 8/20 0.39
MMP9 P14780 8/20 0.39
MMP2 P08253 7/20 0.39
MMP8 P22894 6/20 0.39
MMP12 P39900 6/20 0.39
MMP14 P50281 6/20 0.39
MMP16 P51512 6/20 0.39
MMP3 P08254 6/20 0.39
MMP1 P03956 6/20 0.39
ADAM17 P78536 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7319926 0.88 MMP2 (0.43) MAPTKMT2AMMP13MMP9MMP2
SCHEMBL7317370 0.84 MMP9 (0.44) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7322262 0.79 LMNA (0.43) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7311156 0.79 KDM4E (0.44) MAPTKMT2AMMP13MMP9MMP2
SCHEMBL27530282 0.79 KEAP1 (0.41) TDP1KMT2AAURKACASP3SENP8
SCHEMBL7311850 0.78 KDM4E (0.42) MAPTTDP1KMT2AMMP13MMP9
SCHEMBL7325399 0.78 FFAR4 (0.54) MAPTKMT2AALDH1A1LMNAHPGD
SCHEMBL7319136 0.77 SMN1; SMN2 (0.40) MAPTTDP1KMT2AMMP13MMP9
SCHEMBL7318787 0.76 MMP13 (0.48) MMP13MMP9MMP2MMP8MMP12
SCHEMBL7324047 0.76 GABRG2 (0.42) KMT2AMMP13MMP9MMP2MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed